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BioLiP

PDB CCD ID: L8V
Number of entries in BioLiP: 1
Chemical formula: C23 H16 F3 N5 O2
InChI: InChI=1S/C23H16F3N5O2/c24-13-3-5-19(17(25)10-13)31-23(32)16-2-1-8-29-22(16)30-14-4-6-20(18(26)11-14)33-15-7-9-28-21(27)12-15/h1-12H,(H2,27,28)(H,29,30)(H,31,32)
InChIKey: VPOULRXFJKYXDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F)cc2F)ccn1
OpenEye OEToolkits 1.7.0c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F
Name:2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
ChEMBL: CHEMBL1097142
ZINC: ZINC000044460256
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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